(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine

C13H12F3N3O — CID 102950754

IUPAC(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc(C(N)c2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C13H12F3N3O/c1-20-11-6-10(18-7-19-11)12(17)8-2-4-9(5-3-8)13(14,15)16/h2-7,12H,17H2,1H3
InChIKeyPVZWJGBMXABDPH-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.55
Rot. Bonds3

About (6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine

(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102950754) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID102950754
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc(C(N)c2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C13H12F3N3O/c1-20-11-6-10(18-7-19-11)12(17)8-2-4-9(5-3-8)13(14,15)16/h2-7,12H,17H2,1H3
InChIKeyPVZWJGBMXABDPH-UHFFFAOYSA-N
XLogP2.55
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950866
ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 145107737
(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 71164818
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
(1-ethylimidazol-2-yl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950568
(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102950671
[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43100339
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43561305
(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140396
(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115852240
1-(3,4-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 102951022
(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102950782

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine (CID 102950754) is (6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine is COc1cc(C(N)c2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PVZWJGBMXABDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-20-11-6-10(18-7-19-11)12(17)8-2-4-9(5-3-8)13(14,15)16/h2-7,12H,17H2,1H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine?
(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 283.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102950754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).